CID 497791

Chembl67036

Structural Information

Molecular Formula
C27H29N5O5
SMILES
CN(C1=CC=CC=C1C2=CN=C(O2)NC3=CC(=C(C=C3)C4=CN=CO4)OC)C(=O)CCN5CCOCC5
InChI
InChI=1S/C27H29N5O5/c1-31(26(33)9-10-32-11-13-35-14-12-32)22-6-4-3-5-20(22)25-17-29-27(37-25)30-19-7-8-21(23(15-19)34-2)24-16-28-18-36-24/h3-8,15-18H,9-14H2,1-2H3,(H,29,30)
InChIKey
HTKNYZVIKZSPAT-UHFFFAOYSA-N
Compound name
N-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-3-morpholin-4-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

503.21686 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.22414 218.2
[M+Na]+ 526.20608 221.7
[M-H]- 502.20958 233.4
[M+NH4]+ 521.25068 218.8
[M+K]+ 542.18002 221.4
[M+H-H2O]+ 486.21412 206.2
[M+HCOO]- 548.21506 235.9
[M+CH3COO]- 562.23071 225.7
[M+Na-2H]- 524.19153 216.4
[M]+ 503.21631 222.6
[M]- 503.21741 222.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.